2',2'-dimethylspiro[3H-indene-2,4'-oxane]-1-one

C15H18O2 — CID 3112829

IUPAC2',2'-dimethylspiro[3H-indene-2,4'-oxane]-1-one
SMILESCC1(C)CC2(CCO1)Cc1ccccc1C2=O
InChIInChI=1S/C15H18O2/c1-14(2)10-15(7-8-17-14)9-11-5-3-4-6-12(11)13(15)16/h3-6H,7-10H2,1-2H3
InChIKeyRAXFORATYIEYFS-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.00
Rot. Bonds

About 2',2'-dimethylspiro[3H-indene-2,4'-oxane]-1-one

2',2'-dimethylspiro[3H-indene-2,4'-oxane]-1-one (PubChem CID 3112829) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2',2'-dimethylspiro[3H-indene-2,4'-oxane]-1-one.

Molecular Properties

Compound Name2',2'-dimethylspiro[3H-indene-2,4'-oxane]-1-one
PubChem CID3112829
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name2',2'-dimethylspiro[3H-indene-2,4'-oxane]-1-one
SMILESCC1(C)CC2(CCO1)Cc1ccccc1C2=O
InChIInChI=1S/C15H18O2/c1-14(2)10-15(7-8-17-14)9-11-5-3-4-6-12(11)13(15)16/h3-6H,7-10H2,1-2H3
InChIKeyRAXFORATYIEYFS-UHFFFAOYSA-N
XLogP3.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2',2'-dimethylspiro[3H-indene-2,4'-oxane]-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2',2'-dimethylspiro[3H-indene-2,4'-oxane]-1-one?
The IUPAC name of 2',2'-dimethylspiro[3H-indene-2,4'-oxane]-1-one (CID 3112829) is 2',2'-dimethylspiro[3H-indene-2,4'-oxane]-1-one.
What is the SMILES notation for 2',2'-dimethylspiro[3H-indene-2,4'-oxane]-1-one?
The canonical SMILES for 2',2'-dimethylspiro[3H-indene-2,4'-oxane]-1-one is CC1(C)CC2(CCO1)Cc1ccccc1C2=O.
What is the InChIKey of 2',2'-dimethylspiro[3H-indene-2,4'-oxane]-1-one?
The InChIKey is RAXFORATYIEYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-14(2)10-15(7-8-17-14)9-11-5-3-4-6-12(11)13(15)16/h3-6H,7-10H2,1-2H3.
What are the key properties of 2',2'-dimethylspiro[3H-indene-2,4'-oxane]-1-one?
2',2'-dimethylspiro[3H-indene-2,4'-oxane]-1-one has a molecular weight of 230.31 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2',2'-dimethylspiro[3H-indene-2,4'-oxane]-1-one is sourced from PubChem (CID 3112829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).